#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000714.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2000714
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1530
_journal_page_last  1531
loop_
_publ_author_name
 'Flippen-Anderson, J.L.'
 'George, C.'
 'Gilardi, R.'
_chemical_formula_moiety  'C11 H18 N8 O8'
_chemical_formula_sum  'C11 H18 N8 O8'
_chemical_formula_weight  390.3
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c a'
_symmetry_space_group_name_Hall  ?
_cell_length_a  6.552(2)
_cell_length_b  25.794(6)
_cell_length_c  19.412(5)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  3281(2)
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.581
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1632
_exptl_absorpt_coefficient_mu  1.12
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.54184
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C(1) -.1231(8) .1559(2) .8926(2) .041(2)
 N(2) -.1446(6) .1675(2) .9672(2) .0370(10)
 N(2') -.3278(8) .1864(2) .9888(2) .047(2)
 O(2A) -.3282(6) .21360(10)
        1.0403(2) .066(2)
 O(2B) -.4803(6) .1747(2) .9557(2) .0620(10)
 C(3) .0395(8) .1771(2) 1.0090(2) .041(2)
 N(4) .1174(6) .13090(10)
         1.0411(2) .0430(10)
 N(4') .0405(7) .1170(2) 1.1066(2) .054(2)
 O(4A) .1101(7) .0782(2) 1.1328(2) .071(2)
 O(4B) -.0790(7) .1471(2) 1.1327(2) .076(2)
 C(5) .1741(8) .0886(2) .9963(2) .042(2)
 N(6) .0229(6) .07510(10)
         .9452(2) .0380(10)
 N(6') -.1540(8) .0537(2) .9695(2) .051(2)
 O(6A) -.3008(7) .0510(2) .9305(2) .076(2)
 O(6B) -.1531(6) .03740(10)
        1.0286(2) .0630(10)
 C(7) -.0063(8) .1052(2) .8809(2) .041(2)
 N(8) .1881(6) .12020(10)
         .8525(2) .0390(10)
 C(9) .1891(8) .1745(2) .8308(2) .042(2)
 N(10) -.0030(6) .19410(10)
        .8571(2) .0390(10)
 C(11) .3234(9) .0869(2) .8213(2) .044(2)
 C(12) .3025(9) .0302(2) .8386(2) .052(2)
 O(13) .4594(6) .10410(10)
       .7852(2) .0610(10)
 C(14) -.0841(9) .2422(2) .8449(2) .041(2)
 C(15) .0445(8) .2792(2) .8045(2) .049(2)
 O(16) -.2521(6) .25240(10)
        .8669(2) .0550(10)
 C(17) .4438(10) -.0054(2) .7988(3) .079(3)
 C(18) -.0332(9) .3345(2) .8096(2) .058(2)
 H(1) -.2608 .1547 .8757 ?
 H(3A) .0065 .2018 1.0442 ?
 H(3B) .1435 .1912 .9796 ?
 H(5A) .2972 .0981 .9726 ?
 H(5B) .1991 .0587 1.0244 ?
 H(7) -.0820 .0829 .8507 ?
 H(9A) .1950 .1773 .7815 ?
 H(9B) .3022 .1928 .8507 ?
 H(12A) .3299 .0258 .8868 ?
 H(12B) .1645 .0201 .8289 ?
 H(15A) .1820 .2779 .8217 ?
 H(15B) .0433 .2689 .7571 ?
 H(17A) .4252 -.0410 .8116 ?
 H(17B) .5803 .0052 .8099 ?
 H(17C) .4216 -.0016 .7501 ?
 H(18A) .0530 .3553 .7807 ?
 H(18B) -.0278 .3474 .8560 ?
 H(18C) -.1711 .3361 .7930 ?